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isovaleraldehyde propylene glycol acetal

Chemical Structure

General Material Information

Preferred name isovaleraldehyde propylene glycol acetal
Trivial Name 2-Isobutyl-4-methyl-1,3-dioxolane
Short Description cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane
Formula C8 H16 O2
CAS Number 18433-93-7
FEMA Number 4286
Flavis Number 6.135
ECHA Number 242-309-5
FDA UNII TUG3U82JZS
Nikkaji Number J266.170E
MDL MFCD00238528
xLogP3-AA 2.00 (est)
NMR Predictor External link
JECFA Food Flavoring 1732 isovaleraldehyde propyleneglycol acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 18433-93-7 ; CIS- AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE
Synonyms
  • (Z+E)-2-iso butyl-4-methyl-1,3-dioxolane
  • 2-iso butyl-4-methyl-1,3-dioxolane
  • cis & trans-2-iso butyl-4-methyl-1,3-dioxolane
  • cis- and trans-2-iso butyl-4-methyl-1,3-dioxolane
  • 1,3-dioxolane, 4-methyl-2-(2-methylpropyl)-
  • 4-methyl-2-(2-methyl propyl)-1,3-dioxolane
  • 4-methyl-2-(2-methylpropyl)-1,3-dioxolane
  • iso valer aldehyde PG acetal
  • iso valeraldehyde PG acetal
  • iso valeraldehyde propyleneglycol acetal
  • iso valeric aldehyde propylene glycol acetal
  • iso valeric aldehyde propyleneglycol acetal
  • 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl)-
  • 1,3-Dioxolane, 2-isobutyl-4-methyl-
  • 4-Methyl-2-(2-methylpropyl)-1,3-dioxolane
  • 2-Isobutyl-4-methyl-1,3-dioxolane

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32203
FooDB:FDB009184
Export Tariff Code:2932.99.7000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 144.21391296387
Specific gravity @ 20 °C
Pounds per Gallon 7.481 to 7.514
Refractive Index 1.413 to 1.417 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 3.534 mmHg @ 25 °C
Flash Point TCC Value 40.56 °C TCC
logP (o/w) 1.991 est
Solubility
alcohol Yes
water, 1815 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Ethereal
sweet, ethereal, fruity, tropical, rummy, sour, ripe, dairy, buttery
Odor strength medium
Substantivity 3 hour(s) at 100.00 %
Luebke, William tgsc, (2008) At 100.00 %. sweet ethereal fruity tropical rummy sour ripe dairy buttery
Flavor Type: Fruity
fruity, ethereal, tutti frutti, tropical, rummy, ripe
Luebke, William tgsc, (2008) Fruity ethereal tutti frutti tropical rummy ripe

Occurrences

Potential Uses

Applications
Odor purposes Floral, Green
Flavoring purposes Caramel

Safety Information

Safety information

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isovaleraldehyde propylene glycol acetal usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
Click here to view publication 23
average usual ppmaverage maximum ppm
baked goods: 15.0000050.00000
beverages(nonalcoholic): 5.0000050.00000
beverages(alcoholic): 5.0000010.00000
breakfast cereal: 1.0000050.00000
cheese: 1.0000050.00000
chewing gum: 1.00000100.00000
condiments / relishes: 10.0000050.00000
confectionery froastings: 1.0000050.00000
egg products: 1.0000050.00000
fats / oils: 1.00000100.00000
fish products: --
frozen dairy: 5.0000020.00000
fruit ices: 0.5000020.00000
gelatins / puddings: 5.0000020.00000
granulated sugar: --
gravies: 1.0000050.00000
hard candy: 20.00000100.00000
imitation dairy: 1.00000100.00000
instant coffee / tea: 2.0000010.00000
jams / jellies: 0.1000020.00000
meat products: 1.00000100.00000
milk products: 5.0000050.00000
nut products: 1.00000100.00000
other grains: 1.0000050.00000
poultry: 1.0000050.00000
processed fruits: 0.1000020.00000
processed vegetables: 0.1000020.00000
reconstituted vegetables: --
seasonings / flavors: 1.00000100.00000
snack foods: 1.00000100.00000
soft candy: 10.00000100.00000
soups: 1.0000050.00000
sugar substitutes: --
sweet sauces: 0.8000020.00000

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):18433-93-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86733
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
Chemidplus:0018433937